Electronic and Magneto-Optical Properties of Rare-Earth Orthoferrites RFeO3 (R = Y, Sm, Eu, Gd and Lu)

Singh, Nirpendra; Rhee, Joo Yull; Auluck, S.

doi:10.3938/jkps.53.806

Cited by 55 publications

(27 citation statements)

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“…In Ref. 30, the value of the gap of the HS phase obtained in LDA+U is ≃ 8 eV. The comparison with our results remains difficult because the parameters U and J were not given there.…”

Section: A Electronic Properties and Densities Of Statesmentioning

confidence: 41%

“…Indeed, rare earth orthoferrites are know to be large gap insulators. 21,30,35 It is not possible to stabilize two different phases at positive pressure within the LDA.…”

Section: A Electronic Properties and Densities Of Statesmentioning

confidence: 99%

“…27,28,29.) However, orthoferrites are Mott insulators with a large gap 21,22,30 and the rare earth ions retain an important atomic behavior.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Study of the volume and spin collapse in orthoferriteLuFeO3usingLDA+U

Adams

Amadon

2009

Phys. Rev. B

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Rare earth (R) orthoferrites RFeO 3 exhibit large volume transitions associated with a spin collapse. We present here ab initio calculations on LuFeO 3 . We show that taking into account the strong correlation among the Fe-3d electrons is necessary. Indeed, with the LDA+U method in the Projector Augmented Wave (PAW), we are able to describe the isostructural phase transition at 50 GPa, as well as a volume discontinuity of 6.0% at the transition and the considerable reduction of the magnetic moment on the Fe ions. We further investigate the effect of the variation of U and J and find a linear dependence of the transition pressure on these parameters. We give an interpretation for the non-intuitive effect of J. This emphasizes the need for a correct determination of these parameters especially when the LDA+U is applied to systems (e.g in geophysical investigations) where the transition pressure is a priori unknown.

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“…In Ref. 30, the value of the gap of the HS phase obtained in LDA+U is ≃ 8 eV. The comparison with our results remains difficult because the parameters U and J were not given there.…”

Section: A Electronic Properties and Densities Of Statesmentioning

confidence: 41%

“…Indeed, rare earth orthoferrites are know to be large gap insulators. 21,30,35 It is not possible to stabilize two different phases at positive pressure within the LDA.…”

Section: A Electronic Properties and Densities Of Statesmentioning

confidence: 99%

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Study of the volume and spin collapse in orthoferriteLuFeO3usingLDA+U

Adams

Amadon

2009

Phys. Rev. B

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“…In the past few years, a renewed interest has grown in the study of orthorhombically distorted perovskites. An important example of this trend is the family of orthoferrites, with a general formula RFeO 3 , where R is the trivalent rare-earth metal ion or yttrium [1]. Orthoferrites have been extensively studied for their physical properties and potential applications [2][3][4].…”

Section: Introductionmentioning

confidence: 99%

Yttrium orthoferrite powder obtained by the mechanochemical synthesis

et al. 2017

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Yttrium orthoferrite (YFeO 3 ) powder was prepared by a mechanochemical synthesis from a mixture of Y 2 O 3 and α-Fe 2 O 3 powders in a planetary ball mill for 2.5 h. The obtained YFeO 3 powder sample was characterized by X-ray diffraction (XRD), Raman and infrared spectroscopy. The average crystallite size calculated by the Scherrer equation was 12 nm. The Mössbauer spectroscopy at room temperature confirms the superparamagnetic character of YFeO 3 orthoferrite sample.

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“…гр. D 16 2h -Pbnm) [1]. В последнее время данный материал привлекает внимание исследователей в связи с обнаружением в нем несобственной сегнетоэлектрической поляризации (T C = 670 K): P s = 100 µC/m 2 [2].…”

Section: Introductionunclassified

Электронная Структура И Несобственная Электрическая Поляризация Ортоферрита Самария

Тригук¹,

Макоед²,

Ревинский³

2016

Физика Твердого Тела

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Из первых принципов методом функционала плотности в рамках приближения LSDA+U рассчитаны зонная структура, распределения электронной и спиновой плотностей ортоферрита самария с учетом коллинеарного антиферромагнитного упорядочения магнитных моментов катионов железа и самария. На основании результатов теоретико-группового анализа рассмотрена возможность индуцирования сегнетоэлектрического состояния при температурах, меньших точки антиферромагнитного упорядочения магнитной подрешетки, образованной катионами самария. В области высоких температур возникновение областей со спонтанной электрической поляризацией возможно при наличии дополнительных факторов, понижающих симметрию кристалла. Работа выполнена в рамках Государственной программы научных исследований на 2016--2020 гг. "Физическое материаловедение, новые материалы и технологии".

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Electronic and Magneto-Optical Properties of Rare-Earth Orthoferrites RFeO3 (R = Y, Sm, Eu, Gd and Lu)

Cited by 55 publications

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Study of the volume and spin collapse in orthoferriteLuFeO3usingLDA+U

Study of the volume and spin collapse in orthoferriteLuFeO3usingLDA+U

Yttrium orthoferrite powder obtained by the mechanochemical synthesis

Электронная Структура И Несобственная Электрическая Поляризация Ортоферрита Самария

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